LAMMPS (22 Dec 2022)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

units           metal
atom_style      atomic
boundary        p p p

read_data data.fe
Reading data file ...
  orthogonal box = (0 0 0) to (28.544 28.544 28.544)
  1 by 2 by 2 MPI processor grid
  reading atoms ...
  2010 atoms
  reading velocities ...
  2010 velocities
  read_data CPU = 0.008 seconds

pair_style       meam
pair_coeff       * * FeTiClibrary.meam   Fe Ti C FeTiC.meam  C Fe

thermo 10

thermo_style custom step pe etotal fmax fnorm temp press
thermo_modify format 4*6 %14.10f

#dump equilibration all custom 1 dump.equilibration id type xu yu zu #v_Adam_m

min_style fire
minimize 0 1e-8 2000 2000
Neighbor list info ...
  update: every = 1 steps, delay = 0 steps, check = yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 9 9 9
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
  Parameters for fire:
    dmax  delaystep dtgrow dtshrink alpha0 alphashrink tmax tmin   integrator   halfstepback   abcfire  
     0.1     20      1.1     0.5     0.25     0.99      10  0.02 eulerimplicit      yes          no     
Per MPI rank memory allocation (min/avg/max) = 9.829 | 9.833 | 9.842 Mbytes
   Step         PotEng         TotEng          Fmax          Fnorm           Temp          Press     
         0  -8539.4134     -8539.4134      33.3812609852 149.2218938260   0.0000000000  42466.191    
        10  -8620.4188     -8561.2881       8.7382189895  39.4289227713 227.7028096591  31245.842    
        20  -8637.3058     -8611.0805       0.7027399836   5.0712657863 100.9892872429  25202.715    
        30  -8638.5165     -8635.874        0.3094254276   1.7040057516  10.1754959665  24080.467    
        40  -8638.7427     -8638.5392       0.0890706180   0.5572689004   0.7835708954  24100.748    
        50  -8638.7659     -8638.7619       0.0159599352   0.2120652264   0.0154352372  24069.592    
        60  -8638.7745     -8638.7656       0.0055805129   0.1093712230   0.0342244570  24065.745    
        70  -8638.7827     -8638.7687       0.0030177878   0.0608444174   0.0535987591  24064.023    
        80  -8638.7854     -8638.7854       0.0133124350   0.0520775184   0.0000023757  24062.203    
        90  -8638.7854     -8638.7854       0.0024041647   0.0414667362   0.0001379013  24062.178    
       100  -8638.7855     -8638.7854       0.0015720081   0.0405193198   0.0003414973  24062.128    
       110  -8638.7857     -8638.7854       0.0014582503   0.0385615718   0.0009091205  24062.03     
       120  -8638.7865     -8638.7856       0.0010692751   0.0300335877   0.0033297604  24061.625    
       130  -8638.7872     -8638.7872       0.0012042254   0.0198180280   0.0000839361  24061.119    
       140  -8638.7872     -8638.7872       0.0006807783   0.0194633254   0.0000241496  24061.115    
       150  -8638.7872     -8638.7872       0.0006707020   0.0191491051   0.0000676704  24061.106    
       160  -8638.7873     -8638.7872       0.0006471253   0.0184800327   0.0001689602  24061.083    
       170  -8638.7874     -8638.7873       0.0005401322   0.0154330632   0.0006051648  24060.975    
       180  -8638.7877     -8638.7876       0.0222503967   0.0419732193   0.0000864255  24060.676    
       190  -8638.7877     -8638.7877       0.0002671860   0.0076779892   0.0000010637  24060.676    
       200  -8638.7877     -8638.7877       0.0002645788   0.0076001326   0.0000055394  24060.673    
       210  -8638.7877     -8638.7877       0.0002585995   0.0074296740   0.0000158210  24060.667    
       220  -8638.7877     -8638.7877       0.0002305586   0.0066366674   0.0000625409  24060.637    
       230  -8638.7877     -8638.7877       0.0191152701   0.0318194000   0.0001633281  24060.515    
       240  -8638.7878     -8638.7878       0.0010683169   0.0037842930   0.0000002819  24060.51     
       250  -8638.7878     -8638.7878       0.0002863860   0.0032582040   0.0000015736  24060.509    
       260  -8638.7878     -8638.7878       0.0001086886   0.0031669815   0.0000034162  24060.506    
       270  -8638.7878     -8638.7878       0.0001002125   0.0029212065   0.0000096700  24060.497    
       280  -8638.7878     -8638.7878       0.0016933152   0.0031280416   0.0000328005  24060.455    
       290  -8638.7878     -8638.7878       0.0004172974   0.0017452435   0.0000005901  24060.449    
       300  -8638.7878     -8638.7878       0.0000516088   0.0015168494   0.0000016177  24060.445    
       310  -8638.7878     -8638.7878       0.0000458735   0.0013510065   0.0000035690  24060.439    
       320  -8638.7878     -8638.7878       0.0000529426   0.0008482378   0.0000003085  24060.421    
       330  -8638.7878     -8638.7878       0.0001793711   0.0008608557   0.0000002160  24060.42     
       340  -8638.7878     -8638.7878       0.0000552824   0.0007689773   0.0000004978  24060.418    
       350  -8638.7878     -8638.7878       0.0000220045   0.0006541813   0.0000011366  24060.414    
       360  -8638.7878     -8638.7878       0.0005034381   0.0008435399   0.0000000072  24060.405    
       370  -8638.7878     -8638.7878       0.0001050744   0.0004368008   0.0000000659  24060.405    
       380  -8638.7878     -8638.7878       0.0000127939   0.0003822331   0.0000001503  24060.404    
       390  -8638.7878     -8638.7878       0.0000102870   0.0003085895   0.0000003626  24060.401    
       400  -8638.7878     -8638.7878       0.0000153795   0.0002173162   0.0000000084  24060.398    
       410  -8638.7878     -8638.7878       0.0000166762   0.0002065760   0.0000000209  24060.397    
       420  -8638.7878     -8638.7878       0.0000098838   0.0001903394   0.0000000449  24060.397    
       430  -8638.7878     -8638.7878       0.0000154646   0.0001417776   0.0000001142  24060.395    
       440  -8638.7878     -8638.7878       0.0000734302   0.0001584259   0.0000000025  24060.394    
       450  -8638.7878     -8638.7878       0.0000149189   0.0001059754   0.0000000064  24060.394    
       460  -8638.7878     -8638.7878       0.0000051011   0.0000940137   0.0000000137  24060.393    
       470  -8638.7878     -8638.7878       0.0000800679   0.0001369245   0.0000000346  24060.392    
       480  -8638.7878     -8638.7878       0.0000174300   0.0000603252   0.0000000007  24060.392    
       490  -8638.7878     -8638.7878       0.0000016853   0.0000516242   0.0000000019  24060.392    
       500  -8638.7878     -8638.7878       0.0000019163   0.0000458853   0.0000000042  24060.392    
       510  -8638.7878     -8638.7878       0.0000026929   0.0000287951   0.0000000004  24060.391    
       520  -8638.7878     -8638.7878       0.0000072250   0.0000294234   0.0000000003  24060.391    
       530  -8638.7878     -8638.7878       0.0000025585   0.0000260184   0.0000000006  24060.391    
       540  -8638.7878     -8638.7878       0.0000009444   0.0000221035   0.0000000013  24060.391    
       550  -8638.7878     -8638.7878       0.0000172399   0.0000293221   0.0000000000  24060.39     
       560  -8638.7878     -8638.7878       0.0000033822   0.0000148369   0.0000000001  24060.39     
       570  -8638.7878     -8638.7878       0.0000004145   0.0000128892   0.0000000002  24060.39     
       580  -8638.7878     -8638.7878       0.0000003636   0.0000104065   0.0000000004  24060.39     
       590  -8638.7878     -8638.7878       0.0000006949   0.0000073604   0.0000000000  24060.39     
       600  -8638.7878     -8638.7878       0.0000004550   0.0000069858   0.0000000000  24060.39     
       610  -8638.7878     -8638.7878       0.0000002705   0.0000064271   0.0000000001  24060.39     
       620  -8638.7878     -8638.7878       0.0000004274   0.0000047909   0.0000000001  24060.39     
       630  -8638.7878     -8638.7878       0.0000025336   0.0000053210   0.0000000000  24060.39     
       640  -8638.7878     -8638.7878       0.0000005773   0.0000035713   0.0000000000  24060.39     
       650  -8638.7878     -8638.7878       0.0000001315   0.0000031757   0.0000000000  24060.39     
       660  -8638.7878     -8638.7878       0.0000027388   0.0000046149   0.0000000000  24060.39     
       670  -8638.7878     -8638.7878       0.0000005476   0.0000020449   0.0000000000  24060.39     
       680  -8638.7878     -8638.7878       0.0000000684   0.0000017461   0.0000000000  24060.39     
       690  -8638.7878     -8638.7878       0.0000000556   0.0000015531   0.0000000000  24060.39     
       700  -8638.7878     -8638.7878       0.0000000665   0.0000009720   0.0000000000  24060.39     
       710  -8638.7878     -8638.7878       0.0000002222   0.0000009975   0.0000000000  24060.39     
       720  -8638.7878     -8638.7878       0.0000000667   0.0000008816   0.0000000000  24060.39     
       730  -8638.7878     -8638.7878       0.0000000271   0.0000007491   0.0000000000  24060.39     
       740  -8638.7878     -8638.7878       0.0000005899   0.0000009891   0.0000000000  24060.39     
       750  -8638.7878     -8638.7878       0.0000001226   0.0000005016   0.0000000000  24060.39     
       760  -8638.7878     -8638.7878       0.0000000138   0.0000004377   0.0000000000  24060.39     
       770  -8638.7878     -8638.7878       0.0000000112   0.0000003534   0.0000000000  24060.39     
       780  -8638.7878     -8638.7878       0.0000000180   0.0000002492   0.0000000000  24060.39     
       790  -8638.7878     -8638.7878       0.0000000194   0.0000002369   0.0000000000  24060.39     
       800  -8638.7878     -8638.7878       0.0000000115   0.0000002183   0.0000000000  24060.39     
       810  -8638.7878     -8638.7878       0.0000000178   0.0000001628   0.0000000000  24060.39     
       820  -8638.7878     -8638.7878       0.0000000834   0.0000001823   0.0000000000  24060.39     
       830  -8638.7878     -8638.7878       0.0000000169   0.0000001219   0.0000000000  24060.39     
       840  -8638.7878     -8638.7878       0.0000000059   0.0000001082   0.0000000000  24060.39     
       850  -8638.7878     -8638.7878       0.0000000905   0.0000001571   0.0000000000  24060.39     
       860  -8638.7878     -8638.7878       0.0000000198   0.0000000695   0.0000000000  24060.39     
       870  -8638.7878     -8638.7878       0.0000000019   0.0000000596   0.0000000000  24060.39     
       880  -8638.7878     -8638.7878       0.0000000022   0.0000000530   0.0000000000  24060.39     
       890  -8638.7878     -8638.7878       0.0000000031   0.0000000333   0.0000000000  24060.39     
       900  -8638.7878     -8638.7878       0.0000000082   0.0000000340   0.0000000000  24060.39     
       910  -8638.7878     -8638.7878       0.0000000029   0.0000000301   0.0000000000  24060.39     
       920  -8638.7878     -8638.7878       0.0000000011   0.0000000256   0.0000000000  24060.39     
       930  -8638.7878     -8638.7878       0.0000000196   0.0000000339   0.0000000000  24060.39     
       940  -8638.7878     -8638.7878       0.0000000038   0.0000000172   0.0000000000  24060.39     
       950  -8638.7878     -8638.7878       0.0000000005   0.0000000150   0.0000000000  24060.39     
       960  -8638.7878     -8638.7878       0.0000000004   0.0000000121   0.0000000000  24060.39     
       966  -8638.7878     -8638.7878       0.0000000008   0.0000000087   0.0000000000  24060.39     
Loop time of 19.2478 on 4 procs for 966 steps with 2010 atoms

99.7% CPU use with 4 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = force tolerance
  Energy initial, next-to-last, final = 
     -8539.41337824882  -8638.78776794068  -8638.78776794069
  Force two-norm initial, final = 149.22189 8.6700796e-09
  Force max component initial, final = 33.381261 8.0698814e-10
  Final line search alpha, max atom move = 0 0
  Iterations, force evaluations = 966 1017

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.853     | 18.912     | 19.051     |   1.9 | 98.26
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15835    | 0.29708    | 0.3559     |  14.9 |  1.54
Output  | 0.0026191  | 0.0027698  | 0.0032088  |   0.5 |  0.01
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 0.03585    |            |       |  0.19

Nlocal:          502.5 ave         506 max         501 min
Histogram: 2 0 1 0 0 0 0 0 0 1
Nghost:         2140.5 ave        2142 max        2138 min
Histogram: 1 0 0 0 0 0 0 2 0 1
Neighs:        28291.2 ave       28634 max       28130 min
Histogram: 2 0 1 0 0 0 0 0 0 1
FullNghs:      56582.5 ave       57272 max       56234 min
Histogram: 2 0 1 0 0 0 0 0 0 1

Total # of neighbors = 226330
Ave neighs/atom = 112.60199
Neighbor list builds = 0
Dangerous builds = 0

Total wall time: 0:00:19
